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<DIV>Dear all,</DIV>
<DIV style="TEXT-INDENT: 2em">Recently, I have compiled the latest version,
wien2k_11.1(downloaded on April 21, 2011), and got the 'fortcom errors' below.
</DIV>
<DIV style="TEXT-INDENT: 2em">The errors mainly come from lapw2, so I
also present the content in SRC_lapw2/compile.msg
file below.</DIV>
<DIV style="TEXT-INDENT: 2em"> </DIV>
<DIV style="TEXT-INDENT: 2em">Our system is a two nodes cluster, every machine
has two <FONT face="Times New Roman" size=3>EM64T </FONT><SPAN lang=EN-US
style="FONT-SIZE: 10.5pt; FONT-FAMILY: 'Times New Roman','serif'; mso-fareast-font-family: 卜悶; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA">Intel(R)
Xeon(TM) Processor 3.6GHz/<?xml:namespace prefix = st1 ns =
"urn:schemas-microsoft-com:office:smarttags" /><st1:chmetcnv w:st="on" TCSC="0"
NumberType="1" Negative="False" HasSpace="False" SourceValue="1" UnitName="m">1M
CPUs, and the system is the Redhat enterprise 9.0 linux distribution (somewhat
too old, maybe). I used intel mkl 8.1 and intel ifort 9.1.032 compiler.
All earlier versions of wien2k (from wien2k_05 to wien2k_10) have been
successfully compiled and worked well in the last six years.
</st1:chmetcnv></SPAN></DIV>
<DIV style="TEXT-INDENT: 2em"><SPAN lang=EN-US
style="FONT-SIZE: 10.5pt; FONT-FAMILY: 'Times New Roman','serif'; mso-fareast-font-family: 卜悶; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA"><st1:chmetcnv
w:st="on" TCSC="0" NumberType="1" Negative="False" HasSpace="False"
SourceValue="1" UnitName="m">The compiler options used for the newest version
are</st1:chmetcnv></SPAN></DIV>
<DIV style="TEXT-INDENT: 2em"> </DIV>
<DIV
style="TEXT-INDENT: 2em"> O Compiler options: -I/opt/intel/mkl/8.1/include -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback</DIV>
<DIV
style="TEXT-INDENT: 2em"> L Linker Flags: $(FOPT) -L/opt/intel/mkl/8.1/lib/em64t -lpthread</DIV>
<DIV
style="TEXT-INDENT: 2em"> P Preprocessor flags '-DParallel'</DIV>
<DIV style="TEXT-INDENT: 2em"
align=left> R R_LIB (LAPACK+BLAS): -lmkl_lapack64 -lmkl_em64t -lguide -lvml -pthread</DIV>
<DIV style="TEXT-INDENT: 2em" align=left> </DIV>
<DIV align=left>By the way, no other errors occured except the list below. Are
they bugs or my improper chosen compiler options? Any
comment or response is appreciated!</DIV>
<DIV align=left> </DIV>
<DIV align=left> </DIV>
<DIV style="TEXT-INDENT: 2em"> </DIV>
<DIV
style="TEXT-INDENT: 2em">Compile time errors (if any) were:</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw1/compile.msg:make[1]: *** [lapw1c] Error 1</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw1/compile.msg:make: *** [complex] Error 2</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 680: This intrinsic function is invalid in constant expressions. [DSQRT]</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 779: This intrinsic function is invalid in constant expressions. [COS]</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 779: This intrinsic function is invalid in constant expressions. [SIN]</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 780: This intrinsic function is invalid in constant expressions. [COS]</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 780: This intrinsic function is invalid in constant expressions. [SIN]</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 999: This intrinsic function is invalid in constant expressions. [DSQRT]</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 1097: This intrinsic function is invalid in constant expressions. [COS]</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 1097: This intrinsic function is invalid in constant expressions. [SIN]</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 1098: This intrinsic function is invalid in constant expressions. [COS]</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 1098: This intrinsic function is invalid in constant expressions. [SIN]</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw2/compile.msg:make[1]: *** [c3fft.o] Error 1</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw2/compile.msg:make: *** [real] Error 2</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 680: This intrinsic function is invalid in constant expressions. [DSQRT]</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 779: This intrinsic function is invalid in constant expressions. [COS]</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 779: This intrinsic function is invalid in constant expressions. [SIN]</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 780: This intrinsic function is invalid in constant expressions. [COS]</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 780: This intrinsic function is invalid in constant expressions. [SIN]</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 999: This intrinsic function is invalid in constant expressions. [DSQRT]</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 1097: This intrinsic function is invalid in constant expressions. [COS]</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 1097: This intrinsic function is invalid in constant expressions. [SIN]</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 1098: This intrinsic function is invalid in constant expressions. [COS]</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 1098: This intrinsic function is invalid in constant expressions. [SIN]</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw2/compile.msg:make[1]: *** [c3fft.o] Error 1</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_lapw2/compile.msg:make: *** [complex] Error 2</DIV>
<DIV
style="TEXT-INDENT: 2em">SRC_mixer/compile.msg:make: *** [mixer] Error 1</DIV>
<DIV style="TEXT-INDENT: 2em"> </DIV>
<DIV style="TEXT-INDENT: 2em"> </DIV>
<DIV>The content in the SRC_lapw2/compile.msg :</DIV>
<DIV style="TEXT-INDENT: 2em">
<DIV> </DIV>
<DIV>fortcom: Error: c3fft_tmp_.F, line 680: This intrinsic function is invalid in constant expressions. [DSQRT]</DIV>
<DIV> parameter (TAUR=-0.5D0, TAUI=dsqrt(0.75D0))</DIV>
<DIV>-----------------------------------^</DIV>
<DIV>fortcom: Error: c3fft_tmp_.F, line 779: This intrinsic function is invalid in constant expressions. [COS]</DIV>
<DIV> parameter (TR11= cos(acos(-1.D0)*0.4D0), TI11=sin(acos(-1.D0)*0.4D0), &</DIV>
<DIV>-----------------------^</DIV>
<DIV>fortcom: Error: c3fft_tmp_.F, line 779: This intrinsic function is invalid in constant expressions. [SIN]</DIV>
<DIV> parameter (TR11= cos(acos(-1.D0)*0.4D0), TI11=sin(acos(-1.D0)*0.4D0), &</DIV>
<DIV>----------------------------------------------------^</DIV>
<DIV>fortcom: Error: c3fft_tmp_.F, line 780: This intrinsic function is invalid in constant expressions. [COS]</DIV>
<DIV> TR12=-cos(acos(-1.D0)*0.2D0), TI12=sin(acos(-1.D0)*0.2D0) )</DIV>
<DIV>-----------------------^</DIV>
<DIV>fortcom: Error: c3fft_tmp_.F, line 780: This intrinsic function is invalid in constant expressions. [SIN]</DIV>
<DIV> TR12=-cos(acos(-1.D0)*0.2D0), TI12=sin(acos(-1.D0)*0.2D0) )</DIV>
<DIV>----------------------------------------------------^</DIV>
<DIV>fortcom: Error: c3fft_tmp_.F, line 999: This intrinsic function is invalid in constant expressions. [DSQRT]</DIV>
<DIV> parameter (TAUR=-0.5D0, TAUI=-dsqrt(0.75D0))</DIV>
<DIV>------------------------------------^</DIV>
<DIV>fortcom: Error: c3fft_tmp_.F, line 1097: This intrinsic function is invalid in constant expressions. [COS]</DIV>
<DIV> parameter (TR11= cos(acos(-1.D0)*0.4D0), TI11=-sin(acos(-1.D0)*0.4D0), &</DIV>
<DIV>-----------------------^</DIV>
<DIV>fortcom: Error: c3fft_tmp_.F, line 1097: This intrinsic function is invalid in constant expressions. [SIN]</DIV>
<DIV> parameter (TR11= cos(acos(-1.D0)*0.4D0), TI11=-sin(acos(-1.D0)*0.4D0), &</DIV>
<DIV>-----------------------------------------------------^</DIV>
<DIV>fortcom: Error: c3fft_tmp_.F, line 1098: This intrinsic function is invalid in constant expressions. [COS]</DIV>
<DIV> TR12=-cos(acos(-1.D0)*0.2D0), TI12=-sin(acos(-1.D0)*0.2D0) )</DIV>
<DIV>-----------------------^</DIV>
<DIV>fortcom: Error: c3fft_tmp_.F, line 1098: This intrinsic function is invalid in constant expressions. [SIN]</DIV>
<DIV> TR12=-cos(acos(-1.D0)*0.2D0), TI12=-sin(acos(-1.D0)*0.2D0) )</DIV>
<DIV>-----------------------------------------------------^</DIV>
<DIV>compilation aborted for c3fft_tmp_.F (code 1)</DIV>
<DIV>make[1]: *** [c3fft.o] Error 1</DIV>
<DIV></FONT><FONT face=Verdana size=2></FONT> </DIV>
<DIV><FONT face=Verdana size=2></FONT> </DIV>
<DIV><FONT face=Verdana size=2> PhD.
candidate, Zhen Chen</DIV></DIV></DIV>
<DIV>
<DIV>------------------------------</DIV>
<DIV>
<DIV>Beijing Laboratory of Electron Microscopy </DIV>
<DIV>Institute of Physics </DIV>
<DIV>Chinese Academy of Sciences</DIV>
<DIV>P. O. Box 603 </DIV>
<DIV>Beijing 100190, China</DIV>
<DIV>Tel: 86-10-82648001</DIV>
<DIV> zchen@blem.ac.cn</DIV></DIV></DIV></FONT></BODY></HTML>